N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C17H26N6O2 — CID 124572692

IUPACN-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CCC(c2nncn2C)CC1)c1c(C)noc1C
InChIInChI=1S/C17H26N6O2/c1-5-14(15-11(2)21-25-12(15)3)19-17(24)23-8-6-13(7-9-23)16-20-18-10-22(16)4/h10,13-14H,5-9H2,1-4H3,(H,19,24)/t14-/m0/s1
InChIKeyHMEFKNODHXBPHS-AWEZNQCLSA-N
MW346.44 g/mol
LogP2.46
Rot. Bonds4

About N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 124572692) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID124572692
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CCC(c2nncn2C)CC1)c1c(C)noc1C
InChIInChI=1S/C17H26N6O2/c1-5-14(15-11(2)21-25-12(15)3)19-17(24)23-8-6-13(7-9-23)16-20-18-10-22(16)4/h10,13-14H,5-9H2,1-4H3,(H,19,24)/t14-/m0/s1
InChIKeyHMEFKNODHXBPHS-AWEZNQCLSA-N
XLogP2.46
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 124572692) is N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is CC[C@H](NC(=O)N1CCC(c2nncn2C)CC1)c1c(C)noc1C.
What is the InChIKey of N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is HMEFKNODHXBPHS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-5-14(15-11(2)21-25-12(15)3)19-17(24)23-8-6-13(7-9-23)16-20-18-10-22(16)4/h10,13-14H,5-9H2,1-4H3,(H,19,24)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124572692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).